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  • ASTRONOMY  (1)
  • MNDO  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer aided molecular design 4 (1990), S. 147-153 
    ISSN: 1573-4951
    Keywords: Tetramic acid ; Tetronic acid ; AM1 ; MNDO ; PM3 ; SCF-MO ; Tautomerism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A number of tautomeric geometries of 3-acetyl tetramic acid and 3-acetyl tetronic acid were examined using the AM1 and PM3 methods. The results are compared with experimental data and with studies using MNDO and older methods, with the conclusion that both AM1 and PM3 provide satisfactory models of the behaviour of these species.
    Type of Medium: Electronic Resource
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  • 2
    Publication Date: 2019-07-13
    Description: A comparison has been made of the velocity structure of non-star-forming dense molecular clouds and the output of a 512(exp 3) hydrodynamic code for compressible gas displaying features of turbulence. A remarkable similarity exists between the interstellar line profiles and the velocity profiles found by integrating, with an optically thin assumption, through subsections of the simulation. This similarity is in terms of both the structure of individual spectra, showing skewness, multiple peaks, and wings, and also the variations of the spectra from point to point. It is possible to see the origin of the various velocity substructures and how they correlate with regions of high density and velocity divergence, or regions of high vorticity, by deprojecting individual spectra of the simulation. It is found that the interstellar medium spectra are best represented by the epoch of the simulation in which the energy spectrum is essentially Kolmogorov-like and initially developed shocks have been largely converted into vorticity structures. Further, it is found that the vorticity peaks ascribed to intermittency contribute to the non-Gaussian features and wings of the line profile, but at an intensity level that is weak compared to the contribution of the bulk of the flow.
    Keywords: ASTRONOMY
    Type: Astrophysical Journal, Part 1 (ISSN 0004-637X); 436; 2; p. 728-740
    Format: text
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